tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate

C14H23N3O3S — CID 106379668

IUPACtert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)20-13(19)17-6-4-10(5-7-17)15-8-11-9-21-12(18)16-11/h9-10,15H,4-8H2,1-3H3,(H,16,18)
InChIKeyACHUIPMUPJPVIR-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.93
Rot. Bonds3

About tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate

tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate (PubChem CID 106379668) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
PubChem CID106379668
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Nametert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)20-13(19)17-6-4-10(5-7-17)15-8-11-9-21-12(18)16-11/h9-10,15H,4-8H2,1-3H3,(H,16,18)
InChIKeyACHUIPMUPJPVIR-UHFFFAOYSA-N
XLogP1.93
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate (CID 106379668) is tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCc2csc(=O)[nH]2)CC1.
What is the InChIKey of tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is ACHUIPMUPJPVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,3)20-13(19)17-6-4-10(5-7-17)15-8-11-9-21-12(18)16-11/h9-10,15H,4-8H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate?
tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 313.42 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 106379668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).